methylenebis(di(2,2,3,3,4,4,4-heptafluoro-1-butyl) phosphonate)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: methylenebis(di(2,2,3,3,4,4,4-heptafluoro-1-butyl) phosphonate)
• 英文别名: 4-[Bis(2,2,3,3,4,4,4-heptafluorobutoxy)phosphorylmethyl-(2,2,3,3,4,4,4-heptafluorobutoxy)phosphoryl]oxy-1,1,1,2,2,3,3-heptafluorobutane
• 化学式: C₁₇H₁₀F₂₈O₆P₂
• 分子量: 904.166
• InChiKey: FKOOFQVRYLAANR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  53
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  34

反应信息

• 作为产物：
  描述：

  亚甲基双膦酰二氯 、 2,2,3,3,4,4,4-七氟-1-丁醇 在 四氮唑 、 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 以82%的产率得到methylenebis(di(2,2,3,3,4,4,4-heptafluoro-1-butyl) phosphonate)
  参考文献：
  名称：

  Facile high yielding synthesis of symmetric esters of methylenebisphosphonic acid

  摘要：

  The 1H-tetrazole catalyzed coupling of methylenebis(phosphonic dichloride), CH2(POCl2)(2), with primary alkyl, cyclic secondary alkyl, aromatic, and silicon- and fluorine-containing alcohols selectively affords symmetric P,P'-dialkyl partial esters as wen as homoleptic and mixed tetraesters. Two partial ester intermediates, methylenebis(2-ethylhexyl phosphonic chloride) and 2-ethylhexyl methylenebisphosphonic trichloride, were observed by H-1- and P-31 NMR spectroscopy in the esterification of CH2(POCl2)(2) with 2-ethyl-1-hexanol. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00846-8

文献信息

• Facile high yielding synthesis of symmetric esters of methylenebisphosphonic acid
  作者：Dominique C Stepinski、Derek W Nelson、Peter R Zalupski、Albert W Herlinger

  DOI：10.1016/s0040-4020(01)00846-8

  日期：2001.10

  The 1H-tetrazole catalyzed coupling of methylenebis(phosphonic dichloride), CH2(POCl2)(2), with primary alkyl, cyclic secondary alkyl, aromatic, and silicon- and fluorine-containing alcohols selectively affords symmetric P,P'-dialkyl partial esters as wen as homoleptic and mixed tetraesters. Two partial ester intermediates, methylenebis(2-ethylhexyl phosphonic chloride) and 2-ethylhexyl methylenebisphosphonic trichloride, were observed by H-1- and P-31 NMR spectroscopy in the esterification of CH2(POCl2)(2) with 2-ethyl-1-hexanol. (C) 2001 Elsevier Science Ltd. All rights reserved.